{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.3874321 -20.2655378 -3.3355115 ] [ -21.9073822 4.6498261 -9.5065944 ] [ -9.0102825 -7.2960451 18.1538429 ] [ -1.4804859 19.7994124 4.8368019 ] [ 19.2288387 -1.7189934 -0.1299808 ] [ 3.7989578 6.0041423 -17.0747055 ] [ 1.982922 -1.1728046 7.0561473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.183597099836745e-08 -3.246897087109867e-08 -5.34407854370954e-09 ] [ -3.509949558377007e-08 7.449842668205643e-09 -1.52312432911082e-08 ] [ -1.443606396830338e-08 -1.16895528835224e-08 2.908566267205608e-08 ] [ -2.371999896404047e-09 3.172215565285762e-08 7.74941092362102e-09 ] [ 3.080799581027427e-08 -2.754131036789503e-09 -2.082521989128807e-10 ] [ 6.086601370565802e-09 9.61969642101634e-09 -2.735669395914518e-08 ] [ 3.176991269269977e-09 -1.879040110886696e-09 1.130519423698104e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.050594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.091943627952756e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.4858551 0.8240319 3.1356751 ] [ 1.5293563 3.8356106 2.1296461 ] [ 1.2698557 1.6429564 2.9773137 ] [ 2.465168 5.0603738 3.9234766 ] [ 4.8163695 2.6208842 2.3645249 ] [ 3.4079511 3.5689944 0.7193735 ] [ 4.6811673 4.2414437 4.0818268 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4858551e-10 8.240319e-11 3.1356751e-10 ] [ 1.5293563e-10 3.8356106e-10 2.1296461e-10 ] [ 1.2698557e-10 1.6429564e-10 2.9773137e-10 ] [ 2.465168e-10 5.0603738e-10 3.9234766e-10 ] [ 4.816369500000001e-10 2.6208842e-10 2.3645249e-10 ] [ 3.4079511e-10 3.5689944e-10 7.193735000000001e-11 ] [ 4.6811673e-10 4.2414437e-10 4.0818268e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -9.3e-06 -8.5e-06 ] [ 1.15e-05 1.09e-05 -1.19e-05 ] [ -1.7e-06 -7e-07 1.36e-05 ] [ -3.2e-06 0.0 2.04e-05 ] [ -1.48e-05 1.14e-05 4.2e-06 ] [ 7.3e-06 -1.49e-05 -1.55e-05 ] [ -4e-06 2.5e-06 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -1.490024257344e-14 -1.36185012768e-14 ] [ 1.84250311392e-14 1.746372516672e-14 -1.906590178752e-14 ] [ -2.72370025536e-15 -1.12152363456e-15 2.178960204288e-14 ] [ -5.126965186560001e-15 0.0 3.268440306432e-14 ] [ -2.371221398784e-14 1.826481347712e-14 6.72914180736e-15 ] [ 1.169588933184e-14 -2.387243164992e-14 -2.48337376224e-14 ] [ -6.4087064832e-15 4.005441552e-15 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }